Toluene → HCID 178435929, compound

HRID 302111Notes

Reaction equation

HRID 302111 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]([C:9](=[O:10])[NH:11][CH:12]([CH:13]([CH3:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[nH:22][c:23](-[c:26]2[cH:27][cH:28][c:29]([I:32])[cH:30][cH:31]2)[cH:24][n:25]1)[NH2:33])=[O:34].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[O:44]=[C:45]([Cl:46])[O:47][C:48]([Cl:49])([Cl:50])[Cl:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[c:57]1([CH3:58])[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]1[C:9](=[O:10])[N:11]([CH:12]([CH:13]([CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[nH:22][c:23](-[c:26]3[cH:27][cH:28][c:29]([I:32])[cH:30][cH:31]3)[cH:24][n:25]2)[C:45](=[O:44])[NH:33]1)=[O:34]

Participants

6

Reactant 5

HCID 1140TolueneHCID 8028Tetrahydrofuran2×HCID 10426DiphosgeneHCID 81531DiisopropylethylamineHCID 178435937HCID 178435937, compound

Product 1

HCID 178435929HCID 178435929, compound

Sources & evidence

ORD record
ord-869db08d280e41ac87aaeebbc0524c48
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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