Bicarbonate Ion → 3-(1-cyanocyclopropyl)-N-[3-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-4-methylphenyl]benzamide

HRID 1152139Notes

Reaction equation

HRID 1152139 reaction equation
[C:39](=[O:40])([O-:41])[OH:42].[CH:33]1([C:36](=[O:37])[Cl:38])[CH2:34][CH2:35]1.[NH2:1][c:2]1[s:3][c:4]2[n:5][c:6]([O:11][c:12]3[cH:13][c:14]([NH:19][C:20]([c:21]4[cH:22][c:23]([C:27]5([C:30]#[N:31])[CH2:28][CH2:29]5)[cH:24][cH:25][cH:26]4)=[O:32])[cH:15][cH:16][c:17]3[CH3:18])[cH:7][cH:8][c:9]2[n:10]1.[Na+:43].[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[NH:1]([c:2]1[s:3][c:4]2[n:5][c:6]([O:11][c:12]3[cH:13][c:14]([NH:19][C:20]([c:21]4[cH:22][c:23]([C:27]5([C:30]#[N:31])[CH2:28][CH2:29]5)[cH:24][cH:25][cH:26]4)=[O:32])[cH:15][cH:16][c:17]3[CH3:18])[cH:7][cH:8][c:9]2[n:10]1)[C:36]([CH:33]1[CH2:34][CH2:35]1)=[O:37]

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1049PyridineHCID 77637Cyclopropanecarbonyl chlorideHCID 86645997HCID 86645997, compound

Product 1

HCID 595070113-(1-cyanocyclopropyl)-N-[3-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-4-methylphenyl]benzamide

Sources & evidence

ORD record
ord-698108f7af4e41938a4690c69755875d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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