Carbonate Ion → HCID 66711742, compound

HRID 2147207Notes

Reaction equation

HRID 2147207 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([NH:11][c:12]3[cH:13][cH:14][c:15]([N:18]4[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]4)[cH:16][cH:17]3)[n:9][n:10]12.[C:78](=[O:79])([O-:80])[O-:81].[CH3:36][C:37]1([CH3:38])[c:39]2[cH:40][cH:41][cH:42][c:43]([P:44]([c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[c:57]2[O:58][c:59]2[c:60]1[cH:61][cH:62][cH:63][c:64]2[P:65]([c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[Cs+:82].[Cs+:83].[N+:25](=[O:26])([O-:27])[c:28]1[cH:29][c:30]([CH2:31][NH2:32])[cH:33][cH:34][cH:35]1>>[c:2]1([NH:32][CH2:31][c:30]2[cH:29][c:28]([N+:25](=[O:26])[O-:27])[cH:35][cH:34][cH:33]2)[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([NH:11][c:12]3[cH:13][cH:14][c:15]([N:18]4[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]4)[cH:16][cH:17]3)[n:9][n:10]12

Participants

6

Reactant 5

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 1227223-NitrobenzylamineHCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 66711200(7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine

Product 1

HCID 66711742HCID 66711742, compound

Sources & evidence

ORD record
ord-7cc91c5e3b394bedaca324c8a5197826
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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