Water → HCID 20213089, compound

HRID 209567Notes

Reaction equation

HRID 209567 reaction equation
[C:1](#[N:2])[C:3]([CH:4]([C:5](=[O:6])[Cl:7])[CH3:8])([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[C:29]([C:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[CH:43]([CH2:44][CH3:45])[C:46]([N:47]([CH3:48])[CH3:49])=[O:50])#[N:51].[CH:21]([CH3:22])([CH3:23])[NH:24][CH:25]([CH3:26])[CH3:27].[OH2:28].[c:52]1([CH3:53])[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[C:1](#[N:2])[C:3]([CH:4]([C:5](=[O:6])[N:24]([CH:21]([CH3:22])[CH3:23])[CH:25]([CH3:26])[CH3:27])[CH3:8])([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1

Participants

6

Reactant 5

HCID 962WaterHCID 1140TolueneHCID 7912DiisopropylamineHCID 20213064HCID 20213064, compoundHCID 20213092HCID 20213092, compound

Product 1

HCID 20213089HCID 20213089, compound

Sources & evidence

ORD record
ord-7a3af75116d1427381b2325e3616210e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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