Dimethylformamide → 2,3-Dimethyl-N-(6-oxo-2-phenyl-5,6-dihydro-1H-[1,2]diazepino[4,5,6-cd]indol-8-yl)-benzamide

HRID 673813Notes

Reaction equation

HRID 673813 reaction equation
[CH3:32][c:33]1[c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39][cH:40][c:41]1[CH3:42].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:77][N:78]([CH3:79])[CH:80]=[O:81].[Cl:74][CH2:75][Cl:76].[NH2:1][CH:2]([CH:3]1[CH2:4][CH2:26][CH2:27][CH2:28][CH2:29]1)[C:30]([NH:5][c:6]1[cH:7][c:8]2[c:9]3[c:10]([c:11](-[c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)[nH:12][c:13]3[cH:14]1)[cH:21][n:22][nH:23][c:24]2=[O:25])=[O:31].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[NH:5]([c:6]1[cH:7][c:8]2[c:9]3[c:10]([c:11](-[c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)[nH:12][c:13]3[cH:14]1)[cH:21][n:22][nH:23][c:24]2=[O:25])[C:35]([c:34]1[c:33]([CH3:32])[c:41]([CH3:42])[cH:40][cH:39][cH:38]1)=[O:37]

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 117822,3-Dimethylbenzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 1354753612-amino-2-cyclohexyl-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)acetamide

Product 1

HCID 1357741862,3-Dimethyl-N-(6-oxo-2-phenyl-5,6-dihydro-1H-[1,2]diazepino[4,5,6-cd]indol-8-yl)-benzamide

Sources & evidence

ORD record
ord-0b0ad3e6421d447a8d5cc07f5966dcf7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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